THE REACTION VOLUME HAMILTONIAN MODEL - FURTHER DEVELOPMENT AND APPLICATION

摘要

The reaction volume Hamiltonian model is extended and applied to the OH+H-2, reaction. A minimum energy path, which is a function of the hyperspherical coordinates rho, Theta and Phi, characterizing the reactive centers, has been calculated for the H spectator atom bound to the oxygen atom. Vibrational coupling coefficients, which occur in the Hamiltonian for this reactive system,have been computed. (C) 1997 American Institute of Physics. [References: 58]